Geometry & MOs

Info

ID:

239370

PubChem CID:

93166377

Reduced:

ClSN2O4C25H31 (1)

Stoich.:

ABC2D4E25F31 (1)

Weight, g/mol:

490.169306

ΔHf, kcal/mol:

-147.11

Dipole, Da:

2.27

IP(EA), eV:

 -9.13(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N(C[C@@H]1CCCO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations